[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane

C11H19F3 — CID 95170510

IUPAC[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane
SMILESCCCC[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3/c1-2-3-8-10(11(12,13)14)9-6-4-5-7-9/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyZUICBPKRTOLBQX-JTQLQIEISA-N
MW208.27 g/mol
LogP4.55
Rot. Bonds4

About [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane

[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane (PubChem CID 95170510) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane.

Molecular Properties

Compound Name[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane
PubChem CID95170510
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane
SMILESCCCC[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3/c1-2-3-8-10(11(12,13)14)9-6-4-5-7-9/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyZUICBPKRTOLBQX-JTQLQIEISA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane?
The IUPAC name of [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane (CID 95170510) is [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane.
What is the SMILES notation for [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane?
The canonical SMILES for [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane is CCCC[C@@H](C1CCCC1)C(F)(F)F.
What is the InChIKey of [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane?
The InChIKey is ZUICBPKRTOLBQX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19F3/c1-2-3-8-10(11(12,13)14)9-6-4-5-7-9/h9-10H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane?
[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane has a molecular weight of 208.27 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane is sourced from PubChem (CID 95170510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).